SCHEMBL6514396

SCHEMBL6514396

Cc1cc(CC(=O)O)cc(Cl)c1Oc1ccc2[nH]cc(CC3CCCCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.49
KDM4E B2RXH2 1/20 0.45
THRA P10827 11/20 0.44
HTR6 P50406 1/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6524625 0.99 THRB (0.48) THRBKDM4ETHRAHTR6PPARG
SCHEMBL6519258 0.97 KDM4E (0.46) THRBKDM4ETHRAPPARGPPARD
SCHEMBL6516002 0.95 KDM4E (0.47) THRBKDM4ETHRAPPARGPPARD
SCHEMBL6511535 0.94 KDM4E (0.49) THRBKDM4ETHRAHTR6PPARG
SCHEMBL6516198 0.94 THRB (0.56) THRBKDM4ETHRAHTR6
SCHEMBL6519373 0.93 KDM4E (0.50) THRBKDM4ETHRAHTR6PPARG
SCHEMBL6516513 0.93 THRB (0.54) THRBKDM4ETHRA
SCHEMBL6513869 0.91 THRB (0.52) THRBKDM4ETHRA
SCHEMBL6516388 0.91 KDM4E (0.50) THRBKDM4ETHRAHTR6PPARG
SCHEMBL6512843 0.89 THRB (0.48) THRBKDM4ETHRAHTR6PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 THRB 1772/4885KDM4E 1199/4885THRA 2460/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885KDM4E 2994/4885THRA 1917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.